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10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2Z)-2,3-diphenylprop-2-enoate (non-preferred name)

Catalog ID
STL553668
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C(=C\c1ccccc1)/c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C42H56O2 MW 592.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H56O2/c1-4-5-6-7-8-15-20-33-22-24-38-36-23-21-34-30-35(25-27-42(34,3)39(36)26-28-41(33,38)2)44-40(43)37(32-18-13-10-14-19-32)29-31-16-11-9-12-17-31/h9-14,16-19,21,29,33,35-36,38-39H,4-8,15,20,22-28,30H2,1-3H3/b37-29-
InChIKey
SLEOSPFLNGKQLW-GPFIVKHLSA-N
Synonyms

(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(Z))23diphenylprop2enoate
(E)(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl23diphenylacrylate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl(2Z)23diphenylprop2enoate(nonpreferredname)
5911983
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(=Cc1ccccc1)c1ccccc1
InChI=1SC42H56O2c145678152033222438362321343035(252742(343)39(36)262841(3338)2)4440(43)37(32181310141932)293116119121731h914161921293335363839H481520222830H213H3b3729
MFCD10465770
ZINC001772491105
ZINC001772491108

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Available files

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